tert-butyl 4-[4-(6-cyclohexyl-4-methyl-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-1,4-diazepane-1-carboxylate

Base Information

• Chemical Name: tert-butyl 4-[4-(6-cyclohexyl-4-methyl-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-1,4-diazepane-1-carboxylate
• CAS No.: 1404065-35-5
• Molecular Formula: C₂₉H₄₀N₆O₄
• Molecular Weight: 536.674
• Mol file: 1404065-35-5.mol

Synonyms:tert-butyl 4-[4-(6-cyclohexyl-4-methyl-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-1,4-diazepane-1-carboxylate

Chemical Property of tert-butyl 4-[4-(6-cyclohexyl-4-methyl-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-1,4-diazepane-1-carboxylate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of tert-butyl 4-[4-(6-cyclohexyl-4-methyl-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-1,4-diazepane-1-carboxylate

There total 4 articles about tert-butyl 4-[4-(6-cyclohexyl-4-methyl-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-1,4-diazepane-1-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 39.0%

tert-butyl 4-(4-formyl-3-methoxyphenyl)-1,4-diazepane-1-carboxylate (1374858-57-7) + 4,5-diamino-2-cyclohexyl-6-methylpyridazin-3(2H)-one (1404065-20-8) → tert-butyl 4-[4-(6-cyclohexyl-4-methyl-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-1,4-diazepane-1-carboxylate (1404065-35-5)

Guidance literature:

With sulfur; In 5,5-dimethyl-1,3-cyclohexadiene; at 160 - 170 ℃; for 1h;

DOI:10.1016/j.bmcl.2012.07.077

Reference yield:

tert-butyl 1,4-diazepine-1-carboxylate (112275-50-0) → tert-butyl 4-[4-(6-cyclohexyl-4-methyl-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-1,4-diazepane-1-carboxylate (1404065-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 24 h / 80 °C

2: sulfur / 5,5-dimethyl-1,3-cyclohexadiene / 1 h / 160 - 170 °C

With potassium carbonate; sulfur; In 5,5-dimethyl-1,3-cyclohexadiene; dimethyl sulfoxide;

DOI:10.1016/j.bmcl.2012.07.077

Reference yield:

3-methyl-4,5-dihydro-6-oxopyridazine (5157-08-4) → tert-butyl 4-[4-(6-cyclohexyl-4-methyl-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]-1,4-diazepane-1-carboxylate (1404065-35-5)

Guidance literature:

Multi-step reaction with 7 steps

1: bromine; acetic acid / 6 h / 90 °C

2: hydrazine hydrate / 16 h / 150 - 160 °C

3: nitric acid; sulfuric acid / 3 h / 0 - 20 °C

4: sulfuric acid / 5 h / 55 - 60 °C

5: potassium carbonate / N,N-dimethyl-formamide / 16 h / 100 - 110 °C

6: acetic acid; iron / 12 h / Reflux

7: sulfur / 5,5-dimethyl-1,3-cyclohexadiene / 1 h / 160 - 170 °C

With sulfuric acid; bromine; nitric acid; iron; potassium carbonate; sulfur; hydrazine hydrate; acetic acid; In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2012.07.077

upstream raw materials:

tert-butyl 1,4-diazepine-1-carboxylate

tert-butyl 4-(4-formyl-3-methoxyphenyl)-1,4-diazepane-1-carboxylate

4,5-diamino-2-cyclohexyl-6-methylpyridazin-3(2H)-one

3-methyl-4,5-dihydro-6-oxopyridazine

Downstream raw materials:

C₂₆H₃₄N₆O₃